MD simulation trajectories of RIG-I variant in complex with RNA. 10*100ns in AMOEBA (a single file from OpenMM), 4*500ns in Amber(ff19sb+OL3, ff14sb+Ol3, polarizable water in amberpol), 4*500ns in Desmond (opls4)
(a) Root mean squared deviation (RMSD) of RNA aptamers, and (b) radius of gyration (Rg) for each RNA...
As a result of important methodological advances, the number of molecular dy-namics (MD) simulations...
MD simulation data of a pure POPE membrane with the AMOEBA force field generated with the OpenMM sim...
MD simulations of Cas12j-RNA complex in different force fields. AMOEBA 10*100ns (in a single file), ...
This set of simulations contains 2us of Ago2-RNA complex in Amber ff14SB + OL3, ff19SB + OL3 and Des...
10*100ns simulations of Ago2-RNA complex in the AMOEBA force field. The simulations were conducted u...
MD simulation data for the POPE bilayer with the AMOEBA-based force field developed by Li (https://d...
Simulation data for the Sec61/TRAP/ribosome complex embedded in an ER membrane mimic. Simulations ar...
*S Supporting Information ABSTRACT: The accelerated molecular dynamics (aMD) method has recently bee...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
<p>Porcupine plots showing structural movements of (A) RIG1 and (B) MDA5 receptors during MD simulat...
Simulation data for the Sec61/TRAP/ribosome complex and its subcomplexes (TRAP alone, Sec61 alone, a...
(a) Root mean squared deviation (RMSD) of RNA aptamers, and (b) radius of gyration (Rg) for each RNA...
As a result of important methodological advances, the number of molecular dy-namics (MD) simulations...
MD simulation data of a pure POPE membrane with the AMOEBA force field generated with the OpenMM sim...
MD simulations of Cas12j-RNA complex in different force fields. AMOEBA 10*100ns (in a single file), ...
This set of simulations contains 2us of Ago2-RNA complex in Amber ff14SB + OL3, ff19SB + OL3 and Des...
10*100ns simulations of Ago2-RNA complex in the AMOEBA force field. The simulations were conducted u...
MD simulation data for the POPE bilayer with the AMOEBA-based force field developed by Li (https://d...
Simulation data for the Sec61/TRAP/ribosome complex embedded in an ER membrane mimic. Simulations ar...
*S Supporting Information ABSTRACT: The accelerated molecular dynamics (aMD) method has recently bee...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field...
<p>Porcupine plots showing structural movements of (A) RIG1 and (B) MDA5 receptors during MD simulat...
Simulation data for the Sec61/TRAP/ribosome complex and its subcomplexes (TRAP alone, Sec61 alone, a...
(a) Root mean squared deviation (RMSD) of RNA aptamers, and (b) radius of gyration (Rg) for each RNA...
As a result of important methodological advances, the number of molecular dy-namics (MD) simulations...
MD simulation data of a pure POPE membrane with the AMOEBA force field generated with the OpenMM sim...
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